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benzo[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID HikqHBcfnVR
InChI InChI=1S/C29H27F2N5O4S2/c1-2-40-28(39)25-20-8-4-6-10-22(20)42-27(25)33-24(37)16-41-29-35-34-23(36(29)18-13-11-17(30)12-14-18)15-32-26(38)19-7-3-5-9-21(19)31/h3,5,7,9,11-14H,2,4,6,8,10,15-16H2,1H3,(H,32,38)(H,33,37)
InChIKey DNFQYENYYZLYAZ-UHFFFAOYSA-N
Mol Weight 611.68 g/mol
Molecular Formula C29H27F2N5O4S2
Exact Mass 611.147253 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID QFzIXLo78E
Name benzo[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H27F2N5O4S2/c1-2-40-28(39)25-20-8-4-6-10-22(20)42-27(25)33-24(37)16-41-29-35-34-23(36(29)18-13-11-17(30)12-14-18)15-32-26(38)19-7-3-5-9-21(19)31/h3,5,7,9,11-14H,2,4,6,8,10,15-16H2,1H3,(H,32,38)(H,33,37)
InChIKey DNFQYENYYZLYAZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6685
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/10278696